4WPN

Structure of human ALDH1A1 with inhibitor CM053

4WPN の概要

• エントリーDOI: 10.2210/pdb4wpn/pdb
• 分子名称: Retinal dehydrogenase 1, 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: oxidoreductase enzyme inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 55767.54

構造登録者

Morgan, C.A.,Hurley, T.D. (登録日: 2014-10-20, 公開日: 2015-02-11, 最終更新日: 2023-12-27)

• 主引用文献: Morgan, C.A.,Hurley, T.D.; Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors.; J.Med.Chem., 58:1964-1975, 2015; PubMed: 25634381; DOI: 10.1021/jm501900s

実験手法

X-RAY DIFFRACTION (1.95 Å)